N-(4-methylsulfanylbutyl)-2-propylpyrrolidine-2-carboxamide

C13H26N2OS — CID 106975806

IUPACN-(4-methylsulfanylbutyl)-2-propylpyrrolidine-2-carboxamide
SMILESCCCC1(C(=O)NCCCCSC)CCCN1
InChIInChI=1S/C13H26N2OS/c1-3-7-13(8-6-10-15-13)12(16)14-9-4-5-11-17-2/h15H,3-11H2,1-2H3,(H,14,16)
InChIKeyHCFIZEQFYMMNCZ-UHFFFAOYSA-N
MW258.43 g/mol
LogP2.17
Rot. Bonds8

About N-(4-methylsulfanylbutyl)-2-propylpyrrolidine-2-carboxamide

N-(4-methylsulfanylbutyl)-2-propylpyrrolidine-2-carboxamide (PubChem CID 106975806) has the molecular formula C13H26N2OS and a molecular weight of 258.43 g/mol. Its IUPAC name is N-(4-methylsulfanylbutyl)-2-propylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(4-methylsulfanylbutyl)-2-propylpyrrolidine-2-carboxamide
PubChem CID106975806
Molecular FormulaC13H26N2OS
Molecular Weight258.43 g/mol
Exact Mass258.18
IUPAC NameN-(4-methylsulfanylbutyl)-2-propylpyrrolidine-2-carboxamide
SMILESCCCC1(C(=O)NCCCCSC)CCCN1
InChIInChI=1S/C13H26N2OS/c1-3-7-13(8-6-10-15-13)12(16)14-9-4-5-11-17-2/h15H,3-11H2,1-2H3,(H,14,16)
InChIKeyHCFIZEQFYMMNCZ-UHFFFAOYSA-N
XLogP2.17
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.43
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-octyl-2-propylpyrrolidine-2-carboxamide
CID 106975640
N-(4-propan-2-yloxybutyl)-2-propylpyrrolidine-2-carboxamide
CID 106011154
N-[3-(cyclopropylamino)-3-oxopropyl]-2-propylpyrrolidine-2-carboxamide
CID 106975460
N-(2,2-dimethoxyethyl)-2-propylpyrrolidine-2-carboxamide
CID 106974916
N-[(1-hydroxycycloheptyl)methyl]-2-propylpyrrolidine-2-carboxamide
CID 106975355
N-(2,3-dimethylbutyl)-2-propylpyrrolidine-2-carboxamide
CID 106975317
4,4-dimethyl-6-[(2-propylpyrrolidine-2-carbonyl)amino]hexanoic acid
CID 106975362
N-(2-oxo-2-piperidin-1-ylethyl)-2-propylpyrrolidine-2-carboxamide
CID 106975739
N-(5-hydroxy-2,2-dimethylpentyl)-2-propylpyrrolidine-2-carboxamide
CID 106148123
N-[2-(cyclopropylamino)-2-oxoethyl]-2-propylpyrrolidine-2-carboxamide
CID 106974234
N-[(4-fluorophenyl)methyl]-2-propylpyrrolidine-2-carboxamide
CID 106974072
N-[2-(1-methylpyrazol-4-yl)ethyl]-2-propylpyrrolidine-2-carboxamide
CID 106975529

Frequently Asked Questions

What is the IUPAC name of N-(4-methylsulfanylbutyl)-2-propylpyrrolidine-2-carboxamide?
The IUPAC name of N-(4-methylsulfanylbutyl)-2-propylpyrrolidine-2-carboxamide (CID 106975806) is N-(4-methylsulfanylbutyl)-2-propylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(4-methylsulfanylbutyl)-2-propylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(4-methylsulfanylbutyl)-2-propylpyrrolidine-2-carboxamide is CCCC1(C(=O)NCCCCSC)CCCN1.
What is the InChIKey of N-(4-methylsulfanylbutyl)-2-propylpyrrolidine-2-carboxamide?
The InChIKey is HCFIZEQFYMMNCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2OS/c1-3-7-13(8-6-10-15-13)12(16)14-9-4-5-11-17-2/h15H,3-11H2,1-2H3,(H,14,16).
What are the key properties of N-(4-methylsulfanylbutyl)-2-propylpyrrolidine-2-carboxamide?
N-(4-methylsulfanylbutyl)-2-propylpyrrolidine-2-carboxamide has a molecular weight of 258.43 g/mol, XLogP of 2.17, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylsulfanylbutyl)-2-propylpyrrolidine-2-carboxamide is sourced from PubChem (CID 106975806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).